SCHEMBL1758385

SCHEMBL1758385

CC/C(=C\c1ccc(OC)cc1)CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 4/20 0.52
MAPT P10636 3/20 0.52
HPGD P15428 2/20 0.52
CYP3A4 P08684 2/20 0.49
TSHR P16473 2/20 0.49
CYP1A2 P05177 1/20 0.49
NFKB1 P19838 1/20 0.49
APEX1 P27695 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NQO2 P16083 2/20 0.46
NR1I2 O75469 1/20 0.46
CYP2A6 P11509 1/20 0.44
GSK3B P49841 1/20 0.43
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
PTGS1 P23219 2/20 0.42
CYP1A1 P04798 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10504488 1.00 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTHPGDCYP3A4
SCHEMBL13344132 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTHPGDCYP3A4
SCHEMBL1758410 0.79 CYP2A6 (0.38) KDM4EMAPTNPSR1CYP2A6LMNA
SCHEMBL11908074 0.79 CYP2A6 (0.38) KDM4EMAPTNPSR1CYP2A6LMNA
SCHEMBL4630831 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTHPGDCYP3A4
SCHEMBL1758893 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTHPGDCYP3A4
SCHEMBL11830929 0.77 TRPA1 (0.43) MAPTCYP1A2PTGS1PTGS2TRPA1
SCHEMBL11830924 0.77 TRPA1 (0.43) MAPTCYP1A2PTGS1PTGS2TRPA1
SCHEMBL28472907 0.76 TRPA1 (0.52) ALDH1A1CYP3A4TSHRNR1I2LMNA
SCHEMBL4630810 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTHPGDCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496674-B1 ODORANTS WITH ANISIC NOTES FIRMENICH & CIE (CH) 2013-06-26 EP disclosed
US-8410042-B2 Odorants with anisic notes FIRMENICH SA (CH) 2013-04-02 US disclosed
EP-2496674-A1 ODORANTS WITH ANISIC NOTES Firmenich S.A. (CH) 2012-09-12 EP disclosed
US-20120208741-A1 ODORANTS WITH ANISIC NOTES FIRMENICH SA (CH) 2012-08-16 US disclosed
WO-2011051834-A1 ODORANTS WITH ANISIC NOTES FIRMENICH SA (CH) 2011-05-05 WO disclosed
US-4863926-A ANTICOAGULANTS, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
US-4782088-A HYPOTENSIVE, ANTITHROMBOTIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-01 US disclosed
US-4778804-A ANTICOAGULANTS, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-10-18 US disclosed
US-4767768-A ANTITHROMBIC, HYPOTENSIVE; OXIME-SUBSTITUTED FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-08-30 US disclosed
EP-0113106-B1 NEW NITRO ALIPHATIC COMPOUNDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0113106-A1 New nitro aliphatic compounds, process for preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120208741-A1 ODORANTS WITH ANISIC NOTES C1S, ACMSD, CRAT ALDH1A1 87/4885KDM4E 1421/4885MAPT 4086/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.